4,5-bis(dimethylaminomethyl)-3,6-dimethoxy-xanthen-9-one hydrochloride

Systemtic Name: 4,5-bis(dimethylaminomethyl)-3,6-dimethoxy-xanthen-9-one hydrochloride Openeye Name: 4,5-bis(dimethylaminomethyl)-3,6-dimethoxy-xanthen-9-one hydrochloride CAS Name: 4,5-bis(dimethylaminomethyl)-3,6-dimethoxy-9-xanthenone hydrochloride IUPAC Name: 4,5-bis(dimethylaminomethyl)-3,6-dimethoxyxanthen-9-one hydrochloride Traditional Name: 4,5-bis(dimethylaminomethyl)-3,6-dimethoxy-xanthone hydrochloride Formula: C21H27ClN2O4 MolecularWeight: 406.90308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=CC2=C1OC3=C(C2=O)C=CC(=C3CN(C)C)OC)OC.Cl

Isomeric SMILES

CN(C)CC1=C(C=CC2=C1OC3=C(C2=O)C=CC(=C3CN(C)C)OC)OC.Cl

InChI

InChI=1S/C21H26N2O4.ClH/c1-22(2)11-15-17(25-5)9-7-13-19(24)14-8-10-18(26-6)16(12-23(3)4)21(14)27-20(13)15;/h7-10H,11-12H2,1-6H3;1H